N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C15H17N5O3 — CID 91945696

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C15H17N5O3/c1-10(21)18-11-3-5-12(6-4-11)19-14(22)9-16-15(23)13-7-8-17-20(13)2/h3-8H,9H2,1-2H3,(H,16,23)(H,18,21)(H,19,22)
InChIKeyOYGDWSYYGWCSPH-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.75
Rot. Bonds5

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 91945696) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID91945696
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C15H17N5O3/c1-10(21)18-11-3-5-12(6-4-11)19-14(22)9-16-15(23)13-7-8-17-20(13)2/h3-8H,9H2,1-2H3,(H,16,23)(H,18,21)(H,19,22)
InChIKeyOYGDWSYYGWCSPH-UHFFFAOYSA-N
XLogP0.75
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 166874282
N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 166874283
N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
CID 91945752
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 166874299
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694502
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 95043723
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 91945696) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is OYGDWSYYGWCSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10(21)18-11-3-5-12(6-4-11)19-14(22)9-16-15(23)13-7-8-17-20(13)2/h3-8H,9H2,1-2H3,(H,16,23)(H,18,21)(H,19,22).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91945696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).